N-[6-[4-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-1,4-diazepan-1-yl]pyridin-3-yl]furan-2-carboxamide

Systemtic Name: N-[6-[4-[3-(2-methylphenoxy)-2-oxidanyl-propyl]-1,4-diazepan-1-yl]pyridin-3-yl]furan-2-carboxamide Openeye Name: N-[6-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,4-diazepan-1-yl]-3-pyridyl]furan-2-carboxamide CAS Name: N-[6-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-furancarboxamide IUPAC Name: N-[6-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,4-diazepan-1-yl]pyridin-3-yl]furan-2-carboxamide Traditional Name: N-[6-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,4-diazepan-1-yl]-3-pyridyl]-2-furamide Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CO4)O

Isomeric SMILES

CC1=CC=CC=C1OCC(CN2CCCN(CC2)C3=NC=C(C=C3)NC(=O)C4=CC=CO4)O

InChI

InChI=1S/C25H30N4O4/c1-19-6-2-3-7-22(19)33-18-21(30)17-28-11-5-12-29(14-13-28)24-10-9-20(16-26-24)27-25(31)23-8-4-15-32-23/h2-4,6-10,15-16,21,30H,5,11-14,17-18H2,1H3,(H,27,31)